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CHEBI:218562 - Saroclazine B

ChEBI IDCHEBI:218562
ChEBI NameSaroclazine B
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SubmitterMetaboLights
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FormulaC19H26N2O3S2
Net Charge0
Average Mass394.562
Monoisotopic Mass394.13848
SMILESCS[C@@H]1C(=O)N[C@](Cc2ccc(OCC=C(C)C)cc2)(SC)C(=O)N1C
InChIInChI=1S/C19H26N2O3S2/c1-13(2)10-11-24-15-8-6-14(7-9-15)12-19(26-5)18(23)21(3)17(25-4)16(22)20-19/h6-10,17H,11-12H2,1-5H3,(H,20,22)/t17-,19-/m1/s1
InChIKeyKYNWNEIOVRAUFT-IEBWSBKVSA-N
Species of MetaboliteComponentSourceComments
Sarocladium (ncbitaxon:284134) - PubMed (29103141)
ChEBI Ontology
Outgoing Relation(s)
Saroclazine B (CHEBI:218562) has functional parent α-amino acid (CHEBI:33704)
Saroclazine B (CHEBI:218562) is a organonitrogen compound (CHEBI:35352)
Saroclazine B (CHEBI:218562) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,6R)-1-methyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3,6-bis(methylsulanyl)piperazine-2,5-dione
Manual XrefsDatabases
71048708ChemSpider